4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C22H24N2O4 — CID 119230120

IUPAC4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C22H24N2O4/c25-20-12-16(21(26)23-17-10-8-15(9-11-17)22(27)28)13-24(20)19-7-3-5-14-4-1-2-6-18(14)19/h1-7,15-17H,8-13H2,(H,23,26)(H,27,28)
InChIKeyBRNAIUAWELGFCU-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.95
Rot. Bonds4

About 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119230120) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119230120
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C22H24N2O4/c25-20-12-16(21(26)23-17-10-8-15(9-11-17)22(27)28)13-24(20)19-7-3-5-14-4-1-2-6-18(14)19/h1-7,15-17H,8-13H2,(H,23,26)(H,27,28)
InChIKeyBRNAIUAWELGFCU-UHFFFAOYSA-N
XLogP2.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
(3R)-N-cyclopropyl-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40978163
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
cis-(1S,3R)-3-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675294
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229943
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
(3R)-N-(4-methylcyclohexyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056308

Frequently Asked Questions

What is the IUPAC name of 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119230120) is 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)CC1.
What is the InChIKey of 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BRNAIUAWELGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20-12-16(21(26)23-17-10-8-15(9-11-17)22(27)28)13-24(20)19-7-3-5-14-4-1-2-6-18(14)19/h1-7,15-17H,8-13H2,(H,23,26)(H,27,28).
What are the key properties of 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).